3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene

C27H18O2 — CID 15789566

IUPAC3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene
SMILESC1=CC(c2ccccc2)(c2cc3ccccc3o2)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H18O2/c1-2-10-21(11-3-1)27(26-18-20-9-5-7-13-24(20)28-26)17-16-23-22-12-6-4-8-19(22)14-15-25(23)29-27/h1-18H
InChIKeyAETYZLKASIPCIZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.94
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene

3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene (PubChem CID 15789566) has the molecular formula C27H18O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene
PubChem CID15789566
Molecular FormulaC27H18O2
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene
SMILESC1=CC(c2ccccc2)(c2cc3ccccc3o2)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H18O2/c1-2-10-21(11-3-1)27(26-18-20-9-5-7-13-24(20)28-26)17-16-23-22-12-6-4-8-19(22)14-15-25(23)29-27/h1-18H
InChIKeyAETYZLKASIPCIZ-UHFFFAOYSA-N
XLogP6.94
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene?
The IUPAC name of 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene (CID 15789566) is 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene?
The canonical SMILES for 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene is C1=CC(c2ccccc2)(c2cc3ccccc3o2)Oc2ccc3ccccc3c21.
What is the InChIKey of 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene?
The InChIKey is AETYZLKASIPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O2/c1-2-10-21(11-3-1)27(26-18-20-9-5-7-13-24(20)28-26)17-16-23-22-12-6-4-8-19(22)14-15-25(23)29-27/h1-18H.
What are the key properties of 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene?
3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene has a molecular weight of 374.44 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-3-phenylbenzo[f]chromene is sourced from PubChem (CID 15789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).